Search found 4 matches

by cmuhich
Mon Jun 27, 2011 5:14 pm
Forum: VTSTTools
Topic: UT Optimizers without Transition state search
Replies: 1
Views: 4945

UT Optimizers without Transition state search

Hello, Is it possible to use the UT code's optimizers without doing a transition state search? If so what are the input paramerters that i need to use so that the code won't try to run an NEB search, or do i have to recompile vasp without the NEB, DIMER etc algothymes but with only the optimizers? T...
by cmuhich
Fri Jun 17, 2011 7:46 pm
Forum: VTSTTools
Topic: VTST 2.x code updates
Replies: 30
Views: 102002

Re: VTST 2.0 code update

What settings need to be used for just a geometry relaxation? Do i need to have a separate compilation of vasp with the new optimizers or do i just need to set ICHAIN equal to something?

thanks
by cmuhich
Tue May 31, 2011 10:16 pm
Forum: Bader
Topic: Windows binaries
Replies: 4
Views: 10066

Re: Windows binaries

make that buy a but!

sorry
by cmuhich
Tue May 31, 2011 10:16 pm
Forum: Bader
Topic: Windows binaries
Replies: 4
Views: 10066

Re: Windows binaries

Hi,

I am having similar difficulties. I have unpacked the bianaries, but do not know how to install the program. I try typing bader into the cmd, buy all i get is Windows saying that it is not a valid program. what do i need to do to make it run?